SCHEMBL1834990

SCHEMBL1834990

CCC(C1CN(C(=O)O)CCC1n1c(=O)[nH]c2ccccc21)N(Cc1ccccc1)Cc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 7/20 0.46
▸ OPRK1 P41145 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ CHRM1 P11229 2/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM5 P08912 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ PLD2 O14939 2/20 0.40
▸ PLD1 Q13393 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1835262 0.95 CHRM1 (0.44) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1835799 0.93 OPRM1 (0.47) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1836256 0.92 CHRM2 (0.43) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1838782 0.90 OPRM1 (0.48) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1841561 0.90 ALDH1A1 (0.44) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL3403282 0.89 OPRM1 (0.40) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1834569 0.88 CYP3A4 (0.41) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1835180 0.88 CHRM2 (0.39) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1837577 0.88 CHRM2 (0.39) OPRM1OPRK1OPRL1CHRM1CHRM2
SCHEMBL1831699 0.88 ALDH1A1 (0.41) OPRM1OPRK1OPRL1CHRM1CHRM2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 — — EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 — — EP claimed
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